#include <diis_unrestricted.h>
◆ DIISManagerUnrestricted()
DIISManagerUnrestricted::DIISManagerUnrestricted |
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◆ ~DIISManagerUnrestricted()
DIISManagerUnrestricted::~DIISManagerUnrestricted |
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◆ AddIterationToList()
References DIISManager::B, do_output(), DIISManager::DoScalarProductOfErrorMatrices(), DIISManager::E_list, DIISManager::F_list, DIISManager::IterCount, LOG_AREA_SCF, LOG_CAT_INFO, DIISManager::MaxNoOfIters, Util::TimeMeter::print(), and DIISManager::RemoveOldestIteration().
◆ ClearList()
int DIISManagerUnrestricted::ClearList |
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◆ GetCombinedFockMatrices()
int DIISManagerUnrestricted::GetCombinedFockMatrices |
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symmMatrix & |
result_alpha, |
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symmMatrix & |
result_beta |
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The documentation for this class was generated from the following files: